MULTICENTER BOND INDEX - GRASSMANN ALGEBRA AND N-ORDER DENSITY-FUNCTIONAL

被引：92

作者：

MUNDIM, KC ^{[1
]}

GIAMBIAGI, M ^{[1
]}

DEGIAMBIAGI, MS ^{[1
]}

机构：

[1] CBPF,CNPQ,CTR BRASILEIRO PESQUISAS FIS,BR-22290180 RIO JANEIRO,BRAZIL

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1994年 / 98卷 / 24期

关键词：

D O I：

10.1021/j100075a013

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Through the N-order density functional introduced using Grassmann algebra, a straightforward meaning is attached to multicenter bond indices within the Hartree-Fock approximation; they represent the correlation between the fluctuations of the charges in each atomic center from their average values.

引用

页码：6118 / 6119

页数：2

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